COCCOc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1I
SMILES: COCCOc1cc(NC(=O)OC(C)(C)C)c([N+](=O)[O-])cc1I

Molecular Processing

Molecular formula
C14H19IN2O6
Molecular weight
438.22
Exact mass
438.0288
XLogP
3.57
TPSA
99.93
H-bond donors
1
H-bond acceptors
6
Rotatable bonds
6
Heavy atoms
23
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
93.04

Supplementary Information

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